(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

C14H17N5O2 — CID 135104836

IUPAC(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESNc1cc(C(=O)N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)[nH]n1
InChIInChI=1S/C14H17N5O2/c15-13-6-11(17-18-13)14(21)19-7-10(12(20)8-19)5-9-1-3-16-4-2-9/h1-4,6,10,12,20H,5,7-8H2,(H3,15,17,18)/t10-,12+/m1/s1
InChIKeyFSHWOSMXUCEMQD-PWSUYJOCSA-N
MW287.32 g/mol
LogP0.06
Rot. Bonds3

About (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 135104836) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID135104836
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESNc1cc(C(=O)N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)[nH]n1
InChIInChI=1S/C14H17N5O2/c15-13-6-11(17-18-13)14(21)19-7-10(12(20)8-19)5-9-1-3-16-4-2-9/h1-4,6,10,12,20H,5,7-8H2,(H3,15,17,18)/t10-,12+/m1/s1
InChIKeyFSHWOSMXUCEMQD-PWSUYJOCSA-N
XLogP0.06
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 135104836) is (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is Nc1cc(C(=O)N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FSHWOSMXUCEMQD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-13-6-11(17-18-13)14(21)19-7-10(12(20)8-19)5-9-1-3-16-4-2-9/h1-4,6,10,12,20H,5,7-8H2,(H3,15,17,18)/t10-,12+/m1/s1.
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135104836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).