4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile

C12H15N5O2 — CID 79674073

IUPAC4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1
InChIInChI=1S/C12H15N5O2/c13-5-8-6-17(3-4-19-8)12(18)11-9(14)10(15-16-11)7-1-2-7/h7-8H,1-4,6,14H2,(H,15,16)
InChIKeySMBBXOXJDAZCQV-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.23
Rot. Bonds2

About 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile

4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 79674073) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
PubChem CID79674073
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1
InChIInChI=1S/C12H15N5O2/c13-5-8-6-17(3-4-19-8)12(18)11-9(14)10(15-16-11)7-1-2-7/h7-8H,1-4,6,14H2,(H,15,16)
InChIKeySMBBXOXJDAZCQV-UHFFFAOYSA-N
XLogP0.23
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62078266
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677536
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209753
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66083670
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742694
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
CID 78945733
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile (CID 79674073) is 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1.
What is the InChIKey of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is SMBBXOXJDAZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-5-8-6-17(3-4-19-8)12(18)11-9(14)10(15-16-11)7-1-2-7/h7-8H,1-4,6,14H2,(H,15,16).
What are the key properties of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile?
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).