N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H23N5O — CID 51076591

IUPACN-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCN(C3CC3)CC2)c1-n1cccc1
InChIInChI=1S/C17H23N5O/c1-20-17(22-8-2-3-9-22)15(12-18-20)16(23)19-13-6-10-21(11-7-13)14-4-5-14/h2-3,8-9,12-14H,4-7,10-11H2,1H3,(H,19,23)
InChIKeyULSQPOVOOBIVGX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.57
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51076591) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51076591
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCN(C3CC3)CC2)c1-n1cccc1
InChIInChI=1S/C17H23N5O/c1-20-17(22-8-2-3-9-22)15(12-18-20)16(23)19-13-6-10-21(11-7-13)14-4-5-14/h2-3,8-9,12-14H,4-7,10-11H2,1H3,(H,19,23)
InChIKeyULSQPOVOOBIVGX-UHFFFAOYSA-N
XLogP1.57
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485291
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 84595206
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 100906182
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94006778
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
3-methyl-3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 64671878
(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51076591) is N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCN(C3CC3)CC2)c1-n1cccc1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ULSQPOVOOBIVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-17(22-8-2-3-9-22)15(12-18-20)16(23)19-13-6-10-21(11-7-13)14-4-5-14/h2-3,8-9,12-14H,4-7,10-11H2,1H3,(H,19,23).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51076591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).