3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

C18H29N5O2 — CID 75473908

IUPAC3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-12(2)20-18(25)23-9-5-8-14(11-23)16-15(10-19-22-16)21-17(24)13-6-3-4-7-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)(H,20,25)(H,21,24)
InChIKeyGNTCYYTUTIHIQT-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.84
Rot. Bonds4

About 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 75473908) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID75473908
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-12(2)20-18(25)23-9-5-8-14(11-23)16-15(10-19-22-16)21-17(24)13-6-3-4-7-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)(H,20,25)(H,21,24)
InChIKeyGNTCYYTUTIHIQT-UHFFFAOYSA-N
XLogP2.84
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 75473908) is 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1.
What is the InChIKey of 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is GNTCYYTUTIHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)20-18(25)23-9-5-8-14(11-23)16-15(10-19-22-16)21-17(24)13-6-3-4-7-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)(H,20,25)(H,21,24).
What are the key properties of 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 75473908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).