[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C17H23N5O — CID 100627053

IUPAC[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1
InChIInChI=1S/C17H23N5O/c1-17(5-6-17)14-12-15(19-18-14)21-8-10-22(11-9-21)16(23)13-4-3-7-20(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3,(H,18,19)
InChIKeyPKKCQQPNWRRZPL-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.76
Rot. Bonds3

About [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 100627053) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID100627053
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1
InChIInChI=1S/C17H23N5O/c1-17(5-6-17)14-12-15(19-18-14)21-8-10-22(11-9-21)16(23)13-4-3-7-20(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3,(H,18,19)
InChIKeyPKKCQQPNWRRZPL-UHFFFAOYSA-N
XLogP1.76
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91887736
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114555
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 71830195
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 70715380
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 122132437

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 100627053) is [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1.
What is the InChIKey of [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is PKKCQQPNWRRZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(5-6-17)14-12-15(19-18-14)21-8-10-22(11-9-21)16(23)13-4-3-7-20(13)2/h3-4,7,12H,5-6,8-11H2,1-2H3,(H,18,19).
What are the key properties of [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 100627053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).