N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C17H23N5O2 — CID 44621198

IUPACN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1
InChIInChI=1S/C17H23N5O2/c1-24-14-9-13(11-18-12-14)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h9-12H,2-8H2,1H3,(H2,19,20,21,23)
InChIKeyPJBFEAHDVFBCQO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.29
Rot. Bonds7

About N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 44621198) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID44621198
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1
InChIInChI=1S/C17H23N5O2/c1-24-14-9-13(11-18-12-14)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h9-12H,2-8H2,1H3,(H2,19,20,21,23)
InChIKeyPJBFEAHDVFBCQO-UHFFFAOYSA-N
XLogP2.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621192
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173963
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
CID 59173856

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 44621198) is N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is COc1cncc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)c1.
What is the InChIKey of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is PJBFEAHDVFBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-14-9-13(11-18-12-14)15-10-16(21-20-15)19-17(23)5-4-8-22-6-2-3-7-22/h9-12H,2-8H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 44621198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).