(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide

C14H25N5O — CID 61163094

IUPAC(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C14H25N5O/c1-3-18(4-2)8-9-19-11-12(10-16-19)17-14(20)13-6-5-7-15-13/h10-11,13,15H,3-9H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyKNQNURGUJLVUGH-ZDUSSCGKSA-N
MW279.39 g/mol
LogP0.92
Rot. Bonds7

About (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide

(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 61163094) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID61163094
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C14H25N5O/c1-3-18(4-2)8-9-19-11-12(10-16-19)17-14(20)13-6-5-7-15-13/h10-11,13,15H,3-9H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyKNQNURGUJLVUGH-ZDUSSCGKSA-N
XLogP0.92
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-2-carboxamide
CID 103813844
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
CID 119333340

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide (CID 61163094) is (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide is CCN(CC)CCn1cc(NC(=O)[C@@H]2CCCN2)cn1.
What is the InChIKey of (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is KNQNURGUJLVUGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-18(4-2)8-9-19-11-12(10-16-19)17-14(20)13-6-5-7-15-13/h10-11,13,15H,3-9H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61163094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).