1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one

C18H27N5O3 — CID 95894355

IUPAC1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
SMILESO=C([C@H]1CCCN1C(=O)CCc1cc2n(n1)CCNC2)N1CCOCC1
InChIInChI=1S/C18H27N5O3/c24-17(4-3-14-12-15-13-19-5-7-23(15)20-14)22-6-1-2-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,1-11,13H2/t16-/m1/s1
InChIKeySYGLZXKOWFLYEP-MRXNPFEDSA-N
MW361.45 g/mol
LogP-0.23
Rot. Bonds4

About 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one

1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one (PubChem CID 95894355) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
PubChem CID95894355
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
SMILESO=C([C@H]1CCCN1C(=O)CCc1cc2n(n1)CCNC2)N1CCOCC1
InChIInChI=1S/C18H27N5O3/c24-17(4-3-14-12-15-13-19-5-7-23(15)20-14)22-6-1-2-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,1-11,13H2/t16-/m1/s1
InChIKeySYGLZXKOWFLYEP-MRXNPFEDSA-N
XLogP-0.23
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70762036
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 118790095
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1-thiomorpholin-4-ylpropan-1-one
CID 70734173
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153
methyl (2S)-2-[2-(3-morpholin-4-yl-3-oxopropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanoate
CID 96576004
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
1-morpholin-4-yl-3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-one
CID 72921641
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70781518

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one (CID 95894355) is 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one is O=C([C@H]1CCCN1C(=O)CCc1cc2n(n1)CCNC2)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The InChIKey is SYGLZXKOWFLYEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(4-3-14-12-15-13-19-5-7-23(15)20-14)22-6-1-2-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,1-11,13H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one has a molecular weight of 361.45 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one is sourced from PubChem (CID 95894355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).