N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide

C18H29N5O2 — CID 70739209

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)N1CCOCC1
InChIInChI=1S/C18H29N5O2/c24-18(21-8-10-25-11-9-21)19-13-15-12-17-14-22(6-7-23(17)20-15)16-4-2-1-3-5-16/h12,16H,1-11,13-14H2,(H,19,24)
InChIKeyUTQJSWCOOSEMMW-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.57
Rot. Bonds3

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 70739209) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide
PubChem CID70739209
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)N1CCOCC1
InChIInChI=1S/C18H29N5O2/c24-18(21-8-10-25-11-9-21)19-13-15-12-17-14-22(6-7-23(17)20-15)16-4-2-1-3-5-16/h12,16H,1-11,13-14H2,(H,19,24)
InChIKeyUTQJSWCOOSEMMW-UHFFFAOYSA-N
XLogP1.57
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide (CID 70739209) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide is O=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)N1CCOCC1.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is UTQJSWCOOSEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(21-8-10-25-11-9-21)19-13-15-12-17-14-22(6-7-23(17)20-15)16-4-2-1-3-5-16/h12,16H,1-11,13-14H2,(H,19,24).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 70739209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).