N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C14H17N5O2 — CID 120945565

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H17N5O2/c20-13-8-16-4-10(13)5-17-14(21)11-6-18-19(9-11)12-2-1-3-15-7-12/h1-3,6-7,9-10,13,16,20H,4-5,8H2,(H,17,21)
InChIKeyBVGGQGQPYQIORX-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.42
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 120945565) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID120945565
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H17N5O2/c20-13-8-16-4-10(13)5-17-14(21)11-6-18-19(9-11)12-2-1-3-15-7-12/h1-3,6-7,9-10,13,16,20H,4-5,8H2,(H,17,21)
InChIKeyBVGGQGQPYQIORX-UHFFFAOYSA-N
XLogP-0.42
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270531
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 154843795
N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide;dihydrochloride
CID 120945928
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 120947554
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 120945565) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC1CNCC1O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is BVGGQGQPYQIORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-13-8-16-4-10(13)5-17-14(21)11-6-18-19(9-11)12-2-1-3-15-7-12/h1-3,6-7,9-10,13,16,20H,4-5,8H2,(H,17,21).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 120945565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).