N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C19H19N5O2S — CID 45191304

IUPACN-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(C2CCCN2C(=O)Cc2ccccn2)s1
InChIInChI=1S/C19H19N5O2S/c25-18(12-13-4-1-2-9-20-13)24-11-3-5-14(24)15-6-7-16(27-15)19(26)22-17-8-10-21-23-17/h1-2,4,6-10,14H,3,5,11-12H2,(H2,21,22,23,26)
InChIKeyDNSYRONASBFCGQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.02
Rot. Bonds5

About N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45191304) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45191304
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(C2CCCN2C(=O)Cc2ccccn2)s1
InChIInChI=1S/C19H19N5O2S/c25-18(12-13-4-1-2-9-20-13)24-11-3-5-14(24)15-6-7-16(27-15)19(26)22-17-8-10-21-23-17/h1-2,4,6-10,14H,3,5,11-12H2,(H2,21,22,23,26)
InChIKeyDNSYRONASBFCGQ-UHFFFAOYSA-N
XLogP3.02
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 29184528
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CID 28642143
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110264641
5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707
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CID 45220874
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 141043533
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
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N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45191304) is N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(Nc1ccn[nH]1)c1ccc(C2CCCN2C(=O)Cc2ccccn2)s1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is DNSYRONASBFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-18(12-13-4-1-2-9-20-13)24-11-3-5-14(24)15-6-7-16(27-15)19(26)22-17-8-10-21-23-17/h1-2,4,6-10,14H,3,5,11-12H2,(H2,21,22,23,26).
What are the key properties of N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45191304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).