(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H18N4O2 — CID 107211742

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC[C@H](O)C2)n[nH]c1C1CC1
InChIInChI=1S/C12H18N4O2/c13-9-10(7-3-4-7)14-15-11(9)12(18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,13H2,(H,14,15)/t8-/m0/s1
InChIKeyBARDXTYIOWLEFF-QMMMGPOBSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds2

About (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211742) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211742
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC[C@H](O)C2)n[nH]c1C1CC1
InChIInChI=1S/C12H18N4O2/c13-9-10(7-3-4-7)14-15-11(9)12(18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,13H2,(H,14,15)/t8-/m0/s1
InChIKeyBARDXTYIOWLEFF-QMMMGPOBSA-N
XLogP0.47
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
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(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
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(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-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66083670
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
CID 79674073
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742694
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62078266
5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65375202

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211742) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1c(C(=O)N2CCC[C@H](O)C2)n[nH]c1C1CC1.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is BARDXTYIOWLEFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-9-10(7-3-4-7)14-15-11(9)12(18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,13H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).