N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide

C19H29N5O — CID 91645687

IUPACN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C19H29N5O/c1-19(2,3)13-14-12-17(23(4)22-14)21-18(25)16-6-5-11-24(16)15-7-9-20-10-8-15/h5-6,11-12,15,20H,7-10,13H2,1-4H3,(H,21,25)
InChIKeyYUIDTTYQNJYUNW-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.99
Rot. Bonds4

About N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide

N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 91645687) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID91645687
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C19H29N5O/c1-19(2,3)13-14-12-17(23(4)22-14)21-18(25)16-6-5-11-24(16)15-7-9-20-10-8-15/h5-6,11-12,15,20H,7-10,13H2,1-4H3,(H,21,25)
InChIKeyYUIDTTYQNJYUNW-UHFFFAOYSA-N
XLogP2.99
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide (CID 91645687) is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide is Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is YUIDTTYQNJYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,3)13-14-12-17(23(4)22-14)21-18(25)16-6-5-11-24(16)15-7-9-20-10-8-15/h5-6,11-12,15,20H,7-10,13H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 91645687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).