formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C19H27N5O4 — CID 67188676

IUPACformic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)c1.O=CO
InChIInChI=1S/C18H25N5O2.CH2O2/c1-25-15-10-14(12-19-13-15)16-11-17(22-21-16)20-18(24)6-5-9-23-7-3-2-4-8-23;2-1-3/h10-13H,2-9H2,1H3,(H2,20,21,22,24);1H,(H,2,3)
InChIKeyJFNHYJHHHJSKEP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.39
Rot. Bonds7

About formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 67188676) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound Nameformic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID67188676
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nameformic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)c1.O=CO
InChIInChI=1S/C18H25N5O2.CH2O2/c1-25-15-10-14(12-19-13-15)16-11-17(22-21-16)20-18(24)6-5-9-23-7-3-2-4-8-23;2-1-3/h10-13H,2-9H2,1H3,(H2,20,21,22,24);1H,(H,2,3)
InChIKeyJFNHYJHHHJSKEP-UHFFFAOYSA-N
XLogP2.39
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
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
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
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
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
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 formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 67188676) is formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is COc1cncc(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)c1.O=CO.
What is the InChIKey of formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is JFNHYJHHHJSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.CH2O2/c1-25-15-10-14(12-19-13-15)16-11-17(22-21-16)20-18(24)6-5-9-23-7-3-2-4-8-23;2-1-3/h10-13H,2-9H2,1H3,(H2,20,21,22,24);1H,(H,2,3).
What are the key properties of formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 389.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 67188676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).